- InChI
- InChI=1S/C16H29NO4/c1-4-6-7-8-9-10-11-13-20-15(18)14(3)17-16(19)21-12-5-2/h5,14H,2,4,6-13H2,1,3H3,(H,17,19)
- InChI Key
- SJWWDMSJBZJYRK-UHFFFAOYSA-N
- Formula
- C16H29NO4
- SMILES
- C=CCOC(=O)NC(C)C(=O)OCCCCCCCCC
- Molecular Weight1
- 299.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8815 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 256.860 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Inp | [2042.00; 2042.00] |
|
|
| Inp | 2042.00 | NIST | |
| Inp | 2042.00 | NIST | |
| Tboil | 591.38 | K | Relay (1.0) Calculated Property |
| Tc | 780.27 | K | Relay (1.0) Calculated Property |
| Tfus | 288.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.58; 851.34] | J/mol×K | [764.47; 948.61] |
|
| Cp,gas | 769.58 | J/mol×K | 764.47 | Joback Calculated Property |
| Cp,gas | 785.39 | J/mol×K | 795.16 | Joback Calculated Property |
| Cp,gas | 800.31 | J/mol×K | 825.85 | Joback Calculated Property |
| Cp,gas | 814.35 | J/mol×K | 856.54 | Joback Calculated Property |
| Cp,gas | 827.53 | J/mol×K | 887.23 | Joback Calculated Property |
| Cp,gas | 839.85 | J/mol×K | 917.92 | Joback Calculated Property |
| Cp,gas | 851.34 | J/mol×K | 948.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-allyloxycarbonyl-, nonyl ester.
Sources
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